General Information of the Compound
| Compound ID |
CP0463402
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| Compound Name |
US9012443, 360
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| Structure |
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| Formula |
C25H26N4O3S
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| Molecular Weight |
462.575
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| Canonical SMILES |
COc1cc(CC(C)(C)C)ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
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| InChI |
InChI=1S/C25H26N4O3S/c1-25(2,3)15-17-5-7-21(22(13-17)32-4)24-20-8-6-19(14-18(20)9-12-27-24)33(30,31)29-23-10-11-26-16-28-23/h5-14,16H,15H2,1-4H3,(H,26,28,29)
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| InChIKey |
CBNSHQLPFOOXEN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha